4-[2-[[2-(dimethylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-(dimethylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(dimethylamino)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(dimethylamino)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(dimethylamino)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-20(2)13-6-4-3-5-12(13)19-16(22)10-26-15-8-7-11(17(18)23)9-14(15)21(24)25/h3-9H,10H2,1-2H3,(H2,18,23)(H,19,22)